UCSF

ZINC12544217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 6.7 -13.03 1 6 0 67 404.514 6
Mid Mid (pH 6-8) 2.99 9.07 -51.73 2 6 1 69 405.522 6
Lo Low (pH 4.5-6) 2.99 9.34 -104.66 3 6 2 70 406.53 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )